N-Acetylmethionine
Identification
- Name
- N-Acetylmethionine
- Accession Number
- DB01646
- Description
- Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for N-Acetylmethionine (DB01646)
- Weight
- Average: 191.248
Monoisotopic: 191.061613977 - Chemical Formula
- C7H13NO3S
- Synonyms
- (2S)-2-acetamido-4-(methylsulfanyl)butanoic acid
- Acetyl-L-methionine
- Acetylmethionine
- AcMet
- L-(N-Acetyl)methionine
- Methionamine
- Methionin
- N-Ac-Met
- N-acetyl-L-methionine
- Nα-acetyl-L-methionine
- Thiomedon
Pharmacology
Accelerate your drug discovery research with the industry’s only fully connected ADMET dataset, ideal for:Accelerate your drug discovery research with our fully connected ADMET dataset- Indication
- Not Available
- Associated Conditions
- Associated Therapies
- Contraindications & Blackbox Warnings
Contraindications & Blackbox WarningsWith our commercial data, access important information on dangerous risks, contraindications, and adverse effects.Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects- Pharmacodynamics
- Not Available
- Mechanism of action
Target Actions Organism UN-acylamino acid racemase Not Available Amycolatopsis sp. URhodopsin Not Available Humans - Absorption
- Not Available
- Volume of distribution
- Not Available
- Protein binding
- Not Available
- Metabolism
- Not Available
- Route of elimination
- Not Available
- Half-life
- Not Available
- Clearance
- Not Available
- Adverse Effects
Reduce medical errorsand improve treatment outcomes with our comprehensive & structured data on drug adverse effects.Reduce medical errors & improve treatment outcomes with our adverse effects data- Toxicity
- Not Available
- Affected organisms
- Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Products
Comprehensive & structured drug product infoFrom application numbers to product codes, connect different identifiers through our commercial datasets.Easily connect various identifiers back to our datasets- International/Other Brands
- Follicusan
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as methionine and derivatives. These are compounds containing methionine or a derivative thereof resulting from reaction of methionine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Methionine and derivatives
- Alternative Parents
- N-acyl-L-alpha-amino acids / Thia fatty acids / Acetamides / Secondary carboxylic acid amides / Sulfenyl compounds / Monocarboxylic acids and derivatives / Dialkylthioethers / Carboxylic acids / Organopnictogen compounds / Organonitrogen compounds show 3 more
- Substituents
- Acetamide / Aliphatic acyclic compound / Carbonyl group / Carboxamide group / Carboxylic acid / Dialkylthioether / Fatty acid / Fatty acyl / Hydrocarbon derivative / Methionine or derivatives show 15 more
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- monocarboxylic acid, methyl sulfide, N-acetyl-L-amino acid, L-methionine derivative (CHEBI:21557)
Chemical Identifiers
- UNII
- 9J12WX5B6A
- CAS number
- 65-82-7
- InChI Key
- XUYPXLNMDZIRQH-LURJTMIESA-N
- InChI
- InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1
- IUPAC Name
- (2S)-2-acetamido-4-(methylsulfanyl)butanoic acid
- SMILES
- CSCC[C@H](NC(C)=O)C(O)=O
References
- Synthesis Reference
Hans Wagner, Alfred Maierhofer, "Process for the production of N-acetyl-L-methionine." U.S. Patent US4011263, issued 1968.
US4011263- General References
- Not Available
- External Links
- PDB Entries
- 1sja / 3q6u / 3tgu / 4a6g / 4gao / 4gba / 4iwd / 4p5o / 4ycm / 4ycn … show 5 more
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Solution Intraperitoneal 951 mg/L Tablet Oral 175 mg - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
Property Value Source melting point (°C) 105.5 °C PhysProp water solubility 3.07E+005 mg/L (at 25 °C) BEILSTEIN - Predicted Properties
Property Value Source Water Solubility 6.84 mg/mL ALOGPS logP -0.15 ALOGPS logP -0.11 ChemAxon logS -1.4 ALOGPS pKa (Strongest Acidic) 4.02 ChemAxon pKa (Strongest Basic) -1.8 ChemAxon Physiological Charge -1 ChemAxon Hydrogen Acceptor Count 3 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 66.4 Å2 ChemAxon Rotatable Bond Count 5 ChemAxon Refractivity 47.03 m3·mol-1 ChemAxon Polarizability 19.59 Å3 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.9079 Blood Brain Barrier + 0.962 Caco-2 permeable - 0.6724 P-glycoprotein substrate Non-substrate 0.5397 P-glycoprotein inhibitor I Non-inhibitor 0.93 P-glycoprotein inhibitor II Non-inhibitor 0.963 Renal organic cation transporter Non-inhibitor 0.9411 CYP450 2C9 substrate Non-substrate 0.7849 CYP450 2D6 substrate Non-substrate 0.7976 CYP450 3A4 substrate Non-substrate 0.5608 CYP450 1A2 substrate Non-inhibitor 0.8618 CYP450 2C9 inhibitor Non-inhibitor 0.8988 CYP450 2D6 inhibitor Non-inhibitor 0.9613 CYP450 2C19 inhibitor Non-inhibitor 0.9375 CYP450 3A4 inhibitor Non-inhibitor 0.9837 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.992 Ames test Non AMES toxic 0.7591 Carcinogenicity Non-carcinogens 0.9472 Biodegradation Ready biodegradable 0.6811 Rat acute toxicity 1.5530 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9928 hERG inhibition (predictor II) Non-inhibitor 0.9625
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Targets
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- Kind
- Protein
- Organism
- Amycolatopsis sp.
- Pharmacological action
- Unknown
- General Function
- Not Available
- Specific Function
- Not Available
- Gene Name
- Aaar
- Uniprot ID
- Q44244
- Uniprot Name
- o-succinylbenzoate synthase
- Molecular Weight
- 39406.005 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Photoreceptor activity
- Specific Function
- Photoreceptor required for image-forming vision at low light intensity. Required for photoreceptor cell viability after birth. Light-induced isomerization of 11-cis to all-trans retinal triggers a ...
- Gene Name
- RHO
- Uniprot ID
- P08100
- Uniprot Name
- Rhodopsin
- Molecular Weight
- 38892.335 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
Drug created on June 13, 2005 13:24 / Updated on June 12, 2020 16:51